[3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(4-ethylpiperazino)methanone Formula: C19H28BrN5O MolecularWeight: 422.36252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C19H28BrN5O/c1-2-23-3-5-24(6-4-23)16(26)18-8-14-7-15(9-18)11-19(10-14,12-18)25-13-21-17(20)22-25/h13-15H,2-12H2,1H3